Compile Data Set for Download or QSAR
maximum 50k data
Found 32 Enz. Inhib. hit(s) with all data for entry = 50015400
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586268(CHEMBL5079148)
Affinity DataIC50:  1nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586273(CHEMBL5093219)
Affinity DataIC50:  4.90nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetCytochrome P450 3A4(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM287851(8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[...)
Affinity DataIC50: >5nMAssay Description:Inhibition of CYP3A4 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM412515(US10399972, Example 6)
Affinity DataIC50:  8.70nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586263(CHEMBL5089035)
Affinity DataIC50:  11nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM416044(US10442819, Example 191 | US10442819, Example 192)
Affinity DataIC50:  11nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM416155(6-{[trans-4-(1- methylethoxy)cyclohexyl]car- bonyl...)
Affinity DataIC50:  16nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586267(CHEMBL5081040)
Affinity DataIC50:  16nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM412522(US10399972, Example 13 | US10399972, Example 14 | ...)
Affinity DataIC50:  21nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586274(CHEMBL5075024)
Affinity DataIC50:  22nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586268(CHEMBL5079148)
Affinity DataIC50:  22nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586276(CHEMBL5093059)
Affinity DataIC50:  24nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586269(CHEMBL5083385)
Affinity DataIC50:  25nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586266(CHEMBL5077620)
Affinity DataIC50:  29nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM412546((8-(1,4-dioxan-2-yl)-9- fluoro-5,11-dihydro-6H- be...)
Affinity DataIC50:  33nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM415949(6-{[trans-4-(1- methylethoxy)cyclohexyl]- carbonyl...)
Affinity DataIC50:  35nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM412571(US10399972, Example 62 | [9-fluoro-8-(2-oxa-5-azab...)
Affinity DataIC50:  35nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM415726((8-(1,4-dioxan-2-yl)-5,11- dihydro-6H-benzo[b]pyri...)
Affinity DataIC50:  42nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM416173(6-{[trans-4-(1- methylethoxy)cyclohexyl]car- bonyl...)
Affinity DataIC50:  43nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM412572(US10399972, Example 63 | [7-fluoro-8-(2-oxa-5-azab...)
Affinity DataIC50:  57nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand Info
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586265(CHEMBL5069783)
Affinity DataIC50:  113nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586271(CHEMBL5093800)
Affinity DataIC50:  116nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586275(CHEMBL5080509)
Affinity DataIC50:  181nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586270(CHEMBL5084182)
Affinity DataIC50:  197nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586272(CHEMBL5083571)
Affinity DataIC50:  1.39E+3nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM287851(8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[...)
Affinity DataIC50:  3.20E+3nMAssay Description:Inhibition of PXR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM287851(8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[...)
Affinity DataIC50: >5.00E+3nMAssay Description:Inhibition of IDH1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586264(CHEMBL5074633)
Affinity DataIC50:  1.12E+4nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetNuclear receptor subfamily 1 group I member 2(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586268(CHEMBL5079148)
Affinity DataIC50:  1.80E+4nMAssay Description:Inhibition of PXR (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM287851(8-morpholin-4-yl-6- (6,7,8,9-tetrahydro-5H- benzo[...)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of IDH1 R132H mutant (unknown origin) assessed as reduction in NADPH consumption using alpha-KG as substrate incubated for 60 mins by Kina...More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP] cytoplasmic(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586268(CHEMBL5079148)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of IDH1 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed
TargetIsocitrate dehydrogenase [NADP], mitochondrial(Homo sapiens (Human))
Merck

Curated by ChEMBL
LigandPNGBDBM50586268(CHEMBL5079148)
Affinity DataIC50: >5.00E+4nMAssay Description:Inhibition of IDH2 (unknown origin)More data for this Ligand-Target Pair
Ligand InfoPC cidPC sid
In DepthDetails ArticlePubMed